SCHEMBL2643027

SCHEMBL2643027

CCC(CC)C(=O)Nc1sc(-c2ccncc2)c(C)c1C#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.58
ALDH1A1 P00352 6/20 0.51
HPGD P15428 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HTT P42858 3/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
LMNA P02545 4/20 0.43
APOBEC3G Q9HC16 1/20 0.43
KDM4E B2RXH2 3/20 0.42
POLB P06746 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2642810 0.86 GCGR (0.67) GCGRALDH1A1HPGDMEN1KMT2A
SCHEMBL2643378 0.77 GCGR (0.63) GCGRALDH1A1HPGDMEN1KMT2A
SCHEMBL2643627 0.77 GCGR (0.68) GCGRALDH1A1HPGDMEN1KMT2A
SCHEMBL2643566 0.75 GCGR (0.55) GCGRALDH1A1HPGDMEN1KMT2A
SCHEMBL2643107 0.75 GCGR (0.55) GCGRALDH1A1HPGDMEN1KMT2A
SCHEMBL2644097 0.75 GCGR (0.55) GCGRALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2643253 0.74 GCGR (0.54) GCGRALDH1A1HPGDMEN1KMT2A
SCHEMBL2644453 0.74 APOBEC3G (0.58) GCGRALDH1A1HPGDMEN1KMT2A
SCHEMBL2643764 0.74 GCGR (0.59) GCGRALDH1A1HPGDMEN1KMT2A
SCHEMBL2643029 0.74 GCGR (0.64) GCGRALDH1A1HPGDMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US claimed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 US claimed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use GLP1R, GPR119, GCGR GCGR 3/4885ALDH1A1 2652/4885HPGD 1674/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.